Performance evaluation of the MODYLAS application on modern multi-core and many-core environments

Satoshi Ohshima, Soichiro Suzuki, Tatsuya Sakashita, Masao Ogino, Takahiro Katagiri, Yoshimichi Andoh

    研究成果: Chapter in Book/Report/Conference proceedingConference contribution

    抄録

    Molecular dynamics (MD) simulations are an essential tool for various fields of science. To broaden the range of applications of MD simulations, faster and more large-scale simulations that achieve the same accuracy are required. Authors have developed an MD application named MODYLAS over several years. In our previous work, we focused on the pairwise additive calculation of potentials and forces, which is one of the hot spots in MD simulations. We have proposed new thread-level algorithms and evaluated the performance using the FX100 supercomputer system. In this study, we measure the performance of the above algorithms on Skylake-SP and Knights Landing processors and compare the results with FX100. Using the obtained results, we discuss the application performance on this hardware and the potential performance improvement by using the auto-tuning technique.

    本文言語英語
    ホスト出版物のタイトルProceedings - 2019 IEEE 33rd International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2019
    出版社Institute of Electrical and Electronics Engineers Inc.
    ページ787-796
    ページ数10
    ISBN(電子版)9781728135106
    DOI
    出版ステータス出版済み - 5 2019
    イベント33rd IEEE International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2019 - Rio de Janeiro, ブラジル
    継続期間: 5 20 20195 24 2019

    出版物シリーズ

    名前Proceedings - 2019 IEEE 33rd International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2019

    会議

    会議33rd IEEE International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2019
    Countryブラジル
    CityRio de Janeiro
    Period5/20/195/24/19

    All Science Journal Classification (ASJC) codes

    • Information Systems and Management
    • Artificial Intelligence
    • Computer Networks and Communications
    • Hardware and Architecture
    • Control and Optimization

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